Biblioteca Digital

301 resultados para NMR dinamico DFT atropisomeri bifenili

QSARs for congener-specific toxicity of polyhalogenated dibenzo-p-dioxins with DFT and WHIM theory

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29Si NMR��-��

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Study on the ammonia-catalyzed hydrolysis kinetics of single phenyltriethoxysilane and mixed phenyltriethoxysilane/tetraethoxysilane systems by liquid-state 29Si NMR

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Estimation of C-C Bond Dissociation Enthalpies of Large Aromatic Hydrocarbon Compounds using DFT Methods

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DFT��3-��

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CO��DFT��

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Comparative study on the hydrolysis kinetics of substituted ethoxysilanes by liquid-state 29Si NMR

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29Si NMR��Stober��

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AlPO4-5��Co��Mn��XAFS��DFT��

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Ammonia-catalyzed hydrolysis kinetics of mixture of tetraethoxysilane with methyltriethoxysilane by 29Si NMR

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��29Si NMR ��TEOS/DDS��

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A Comparative Investigation of Co2+ and Mn2+ Incorporation into Aluminophosphates by in Situ XAS and DFT Computation

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Adsorption of NO, NO2, pyridine and pyrrole on ��-Mo2C(0001): A DFT study

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��29Si NMR��TEOS/DDS��

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��XAFS��DFT��

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